Note
Click here to download the full example code or to run this example in your browser via Binder
Projected phonon DOSΒΆ
This example shows how to plot the projected phonon DOS (PJDOS) of AlAs. See tutorial/lesson_rf2.html
Read the Phonon DOS from the netcdf file produced by anaddb with prtdos 2 (alternatively one can use the shell and abiopen.py OUT_PHDOS.nc -nb to open the file in a jupyter notebook.
from abipy.abilab import abiopen
import abipy.data as abidata
phdos_file = abiopen(abidata.ref_file("trf2_5.out_PHDOS.nc"))
To plot the PJDOS with matplotlib, use:
phdos_file.plot_pjdos_type(units="cm-1", title="AlAs type-projected phonon DOS")
Out:
<Figure size 640x480 with 1 Axes>
For the plotly version, use:
phdos_file.plotly_pjdos_type(units="cm-1", title="AlAs type-projected phonon DOS")
To have the projection along the cartesian directions (summed over atomic types), use
phdos_file.plot_pjdos_cartdirs_type(units="Thz", stacked=True,
title="Type-projected ph-DOS decomposed along the three Cartesian directions.")
Out:
<Figure size 640x480 with 3 Axes>
To plot the PJDOS for all the inequivalent sites, use:
phdos_file.plot_pjdos_cartdirs_site(view="inequivalent", stacked=True)
Out:
<Figure size 640x480 with 3 Axes>
Remember to close the file
Total running time of the script: ( 0 minutes 0.560 seconds)